⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3945347 | 0.80 | — | — | |
| SCHEMBL17307521 | 0.76 | — | — | |
| SCHEMBL14306684 | 0.76 | — | — | |
| SCHEMBL1563795 | 0.68 | — | — | |
| SCHEMBL14100435 | 0.67 | SIGMAR1 (0.39) | — | |
| SCHEMBL4022829 | 0.67 | — | — | |
| SCHEMBL6265795 | 0.67 | CYP1A2 (0.35) | — | |
| SCHEMBL9612797 | 0.64 | — | — | |
| SCHEMBL2348190 | 0.62 | — | — | |
| SCHEMBL27779168 | 0.62 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2046147-B1 | METHOD OF USING ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2013-05-01 | — | — | EP | claimed |
| US-20090311403-A1 | Method of Using Organic Compounds | GIVAUDAN SA (CH) | 2009-12-17 | — | — | US | claimed |
| CN-101494999-A | Method for using organic compound | GIVAUDAN SA (CH) | 2009-07-29 | — | — | CN | claimed |
| EP-2046147-A1 | METHOD OF USING ORGANIC COMPOUNDS | Givaudan SA (CH) | 2009-04-15 | — | — | EP | claimed |
| WO-2008011742-A1 | METHOD OF USING ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2008-01-31 | — | — | WO | claimed |
| EP-2046147-B1 | METHOD OF USING ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2013-05-01 | — | — | EP | disclosed |
| US-20090311403-A1 | Method of Using Organic Compounds | GIVAUDAN SA (CH) | 2009-12-17 | — | — | US | disclosed |
| CN-101494999-A | Method for using organic compound | GIVAUDAN SA (CH) | 2009-07-29 | — | — | CN | disclosed |
| EP-2046147-A1 | METHOD OF USING ORGANIC COMPOUNDS | Givaudan SA (CH) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008011742-A1 | METHOD OF USING ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2008-01-31 | — | — | WO | disclosed |
| EP-0591805-B1 | Process for preparing 4-hydroxymethyl-tetrahydropyran | BASF AG (DE) | 1996-12-04 | — | — | EP | disclosed |
| EP-0591805-A1 | Process for preparing 4-hydroxymethyl-tetrahydropyran | BASF Aktiengesellschaft (DE) | 1994-04-13 | — | — | EP | disclosed |